Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50220505'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50220505 (CHEMBL84761) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc3OCOc3c1)C2=O Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)15-8-14(9-16(10-15)24(28,29)30)19(34)32-5-3-22(4-6-32)20(35)33(21(36)31-22)11-13-1-2-17-18(7-13)38-12-37-17/h1-2,7-10H,3-6,11-12H2,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2519-22 (2002) BindingDB Entry DOI: 10.7270/Q2GT5QB9
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